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CAS 67253-01-4 Cabraleadiol molecular structure lightbox
CAS RN: 67253-01-4

Cabraleadiol

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260614 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS67253-01-4
  • Purity/Analytical Methods: >99.0%
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67253-01-4 / 17-[5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Standard CAS: 67253-01-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67253-01-4
Multi CAS
Yes
Molecular Formula
C30H52O3
Molecular Weight
460.700000
Exact Mass
460.391646
InChI
InChI=1S/C30H52O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-24,31-32H,9-18H2,1-8H3
InChIKey
RQBNSDSKUAGBOI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
133.81
TPSA
49.69

LogP / Solubility

WLOGP
6.74
MLOGP
5.96
XLogP3
7.2
Consensus LogP
6.63
Log S (ESOL)
-6.81
Class (ESOL)
Insoluble
Log S (Ali)
-8.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.49
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.74

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
8.5

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